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Home > Fluorides > 1000198-76-4
1000198-76-4 | Pyrrolidine, 3-[4-(trifluoromethyl)phenyl]-
CAS No: 1000198-76-4 Catalog No: AG0000AV MDL No:MFCD12407011
Product Description
Catalog Number:
AG0000AV
Chemical Name:
Pyrrolidine, 3-[4-(trifluoromethyl)phenyl]-
CAS Number:
1000198-76-4
Molecular Formula:
C11H12F3N
Molecular Weight:
215.2149
MDL Number:
MFCD12407011
IUPAC Name:
3-[4-(trifluoromethyl)phenyl]pyrrolidine
InChI:
InChI=1S/C11H12F3N/c12-11(13,14)10-3-1-8(2-4-10)9-5-6-15-7-9/h1-4,9,15H,5-7H2
InChI Key:
MMHBTMCYKWWNNS-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)C1CNCC1)(F)F
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.219g/mol
Monoisotopic Mass:
215.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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